2-hydroxy-3-[2-(2-methoxyphenyl)acetyl]benzoic acid

C16H14O5 — CID 150707382

IUPAC2-hydroxy-3-[2-(2-methoxyphenyl)acetyl]benzoic acid
SMILESCOc1ccccc1CC(=O)c1cccc(C(=O)O)c1O
InChIInChI=1S/C16H14O5/c1-21-14-8-3-2-5-10(14)9-13(17)11-6-4-7-12(15(11)18)16(19)20/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyJNDOMLBYHIDWTF-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.52
Rot. Bonds5

About 2-hydroxy-3-[2-(2-methoxyphenyl)acetyl]benzoic acid

2-hydroxy-3-[2-(2-methoxyphenyl)acetyl]benzoic acid (PubChem CID 150707382) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-hydroxy-3-[2-(2-methoxyphenyl)acetyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[2-(2-methoxyphenyl)acetyl]benzoic acid
PubChem CID150707382
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name2-hydroxy-3-[2-(2-methoxyphenyl)acetyl]benzoic acid
SMILESCOc1ccccc1CC(=O)c1cccc(C(=O)O)c1O
InChIInChI=1S/C16H14O5/c1-21-14-8-3-2-5-10(14)9-13(17)11-6-4-7-12(15(11)18)16(19)20/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyJNDOMLBYHIDWTF-UHFFFAOYSA-N
XLogP2.52
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 83743438
1-(2-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077883
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
1-(2-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077704
1-(2-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)ethanone
CID 81453841
2-[2-(2-hydroxyphenyl)-2-oxoethyl]benzoic acid
CID 10729737
1-[3-[(4-ethylpiperazin-1-yl)methyl]-2,4-dihydroxyphenyl]-2-(2-methoxyphenyl)ethanone
CID 30677145
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylphenyl)ethanone
CID 113453726
1-(2,5-dichlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 43344620
1-(2-hydroxy-3-methoxyphenyl)-3-phenylpropan-1-one
CID 12503889
1-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]-2-(2-methoxyphenyl)ethanone
CID 30858822
2-(2-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
CID 905962

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[2-(2-methoxyphenyl)acetyl]benzoic acid?
The IUPAC name of 2-hydroxy-3-[2-(2-methoxyphenyl)acetyl]benzoic acid (CID 150707382) is 2-hydroxy-3-[2-(2-methoxyphenyl)acetyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-3-[2-(2-methoxyphenyl)acetyl]benzoic acid?
The canonical SMILES for 2-hydroxy-3-[2-(2-methoxyphenyl)acetyl]benzoic acid is COc1ccccc1CC(=O)c1cccc(C(=O)O)c1O.
What is the InChIKey of 2-hydroxy-3-[2-(2-methoxyphenyl)acetyl]benzoic acid?
The InChIKey is JNDOMLBYHIDWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-21-14-8-3-2-5-10(14)9-13(17)11-6-4-7-12(15(11)18)16(19)20/h2-8,18H,9H2,1H3,(H,19,20).
What are the key properties of 2-hydroxy-3-[2-(2-methoxyphenyl)acetyl]benzoic acid?
2-hydroxy-3-[2-(2-methoxyphenyl)acetyl]benzoic acid has a molecular weight of 286.28 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[2-(2-methoxyphenyl)acetyl]benzoic acid is sourced from PubChem (CID 150707382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).